(1s 2 2s 2 5d 1 ) 2 D Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | 2.201125 | 2.39895338 |
| 2 | 4d | 1.980170 | -8.09706782 |
| 3 | 5d | 2.024712 | 6.39439323 |
| 4 | 3d | 4.845029 | .06222496 |
| 5 | 5d | 7.659522 | -.01239510 |
| 6 | 4d | 29.575428 | .00021355 |
| 7 | 5d | 1.740981 | .04785665 |
| 8 | 5d | 39.514317 | -.00010314 |
| ORB.ENERGY,a.u. | -2.033200 | ||
| NORM | .999998 | < R > | 3.388593 | < R2 > | 13.032301 | < 1/R > | .409949 | < 1/R**2 > | .344801 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.031136 | .38025191 |
| 2 | 2s | 5.359966 | -.81218492 |
| 3 | 3s | 7.678622 | -.28684447 |
| 4 | 5s | 14.065291 | -.01423680 |
| 5 | 4s | 27.034253 | .00240185 |
| 6 | 5s | 6.154002 | .02704644 |
| 7 | 5s | 39.674991 | -.00030188 |
| ORB.ENERGY,a.u. | -16.918000 | ||
| NORM | 1.000000 | < R > | .482377 | < R2 > | .271825 | < 1/R > | 3.040155 | < 1/R**2 > | 37.244569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.196971 | .93390369 |
| 2 | 1s | 21.085925 | .06512302 |
| 3 | 2s | 14.172599 | .01954881 |
| 4 | 3s | 15.682856 | -.01688541 |
| 5 | 5s | 31.057733 | .00093980 |
| 6 | 4s | 67.703096 | -.00008267 |
| ORB.ENERGY,a.u. | -84.013000 |
| NORM | 1.000000 | < R > | .110275 | < R2 > | .016279 | < 1/R > | 13.671144 | < 1/R**2 > | 376.206332 |
Total Energy= -225.85748730 a.u.
Kinetic Energy= 225.85481335 a.u.
Potential Energy= -451.71230066 a.u.
Virial Ratio = -2.00001184